SCHEMBL9216010

SCHEMBL9216010

COc1ccc(I)cc1C(N)c1cc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAOB P27338 2/20 0.38
NAMPT P43490 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9026850 0.85 KDM4E (0.50) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL9025501 0.85 HPGD (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9025551 0.84 KDM4E (0.43) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9024885 0.84 KDM4E (0.43) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9025085 0.84 RAB9A (0.43) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9026001 0.84 KMT2A (0.42) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9026458 0.81 KDM4E (0.41) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9032003 0.79 DHFR (0.42) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9025420 0.78 KDM4E (0.41) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL9025452 0.78 CYP19A1 (0.38) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO claimed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed